4-(Hydroxymethyl)-5-[3-[2-(hydroxymethyl)-4-nitro-5-sulfinophenyl]-5-methyltetrazol-2-ium-2-yl]-2-nitrobenzenesulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(Hydroxymethyl)-5-[3-[2-(hydroxymethyl)-4-nitro-5-sulfinophenyl]-5-methyltetrazol-2-ium-2-yl]-2-nitrobenzenesulfonic acid
• 英文别名: 4-(hydroxymethyl)-5-[3-[2-(hydroxymethyl)-4-nitro-5-sulfinophenyl]-5-methyltetrazol-2-ium-2-yl]-2-nitrobenzenesulfonic acid
• 化学式: C16H15N6O11S2+
• 分子量: 531.5
• InChiKey: BKZJUYWOPDXDPT-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  286
• 氢给体数：
  4
• 氢受体数：
  14

文献信息

• COMPOUNDS, COMPOSITION, METHODS, TARGETS FOR CANCER THERAPY
  申请人：YU Ming

  公开号：US20140163088A1

  公开（公告）日：2014-06-12

  This invention describes methods and pharmaceutical compositions for combinational cancer treatments that are capable of inducing JNK phosphorylation and induce programmed cell death. It also identified genes as target for anti-cancer drug development and enhancement of the chemotherapeutic drug effect for the treatment of cancer. This invention points to a novel method and principle for a new avenue of developing more efficient and low or non cytotoxic cancer treatment.